| SpectraBase Spectrum ID |
GvpDgVBl2r0 |
| Name |
2C-T-16 N,N-bis(4-Methoxybenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.228679781 u |
| Formula |
C29H35NO4S |
| InChI |
InChI=1S/C29H35NO4S/c1-6-17-35-29-19-27(33-4)24(18-28(29)34-5)15-16-30(20-22-7-11-25(31-2)12-8-22)21-23-9-13-26(32-3)14-10-23/h6-14,18-19H,1,15-17,20-21H2,2-5H3 |
| InChIKey |
HVHRLAXWBUYXRZ-UHFFFAOYSA-N |
| Molecular Weight |
493.662 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)SCC=C)OC)CCN(CC=1C=CC(=CC1)OC)CC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896906 |
